6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide

C18H25N3O3S — CID 55986852

IUPAC6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(NCc2ccccc2OC)nc1
InChIInChI=1S/C18H25N3O3S/c1-4-7-14(2)21-25(22,23)16-10-11-18(20-13-16)19-12-15-8-5-6-9-17(15)24-3/h5-6,8-11,13-14,21H,4,7,12H2,1-3H3,(H,19,20)
InChIKeyXAONTNWBAVKTCR-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.17
Rot. Bonds9

About 6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide

6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide (PubChem CID 55986852) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide
PubChem CID55986852
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(NCc2ccccc2OC)nc1
InChIInChI=1S/C18H25N3O3S/c1-4-7-14(2)21-25(22,23)16-10-11-18(20-13-16)19-12-15-8-5-6-9-17(15)24-3/h5-6,8-11,13-14,21H,4,7,12H2,1-3H3,(H,19,20)
InChIKeyXAONTNWBAVKTCR-UHFFFAOYSA-N
XLogP3.17
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(methylamino)-N-pentan-2-ylpyridine-3-sulfonamide
CID 55044216
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113012405
N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]methanesulfonamide
CID 113012399
6-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-pentan-2-ylpyridine-3-sulfonamide
CID 60579008
2-ethyl-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]butanamide
CID 113012347
5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine
CID 28548307
N-hexan-2-yl-6-(methylamino)pyridine-3-sulfonamide
CID 62200287
6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109151240
2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 43141079
N-butan-2-yl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109273143
6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304167
6-[(2-methoxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956159

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide (CID 55986852) is 6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide is CCCC(C)NS(=O)(=O)c1ccc(NCc2ccccc2OC)nc1.
What is the InChIKey of 6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide?
The InChIKey is XAONTNWBAVKTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-4-7-14(2)21-25(22,23)16-10-11-18(20-13-16)19-12-15-8-5-6-9-17(15)24-3/h5-6,8-11,13-14,21H,4,7,12H2,1-3H3,(H,19,20).
What are the key properties of 6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide?
6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxyphenyl)methylamino]-N-pentan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 55986852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).